N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-4-fluoranyl-3-nitro-benzenesulfonamide

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-4-fluoranyl-3-nitro-benzenesulfonamide Openeye Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-4-fluoro-3-nitro-benzenesulfonamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]ethyl]-4-fluoro-3-nitrobenzenesulfonamide IUPAC Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-4-fluoro-3-nitrobenzenesulfonamide Traditional Name: N-[2-[(2-cyanobenzyl)thio]ethyl]-4-fluoro-3-nitro-benzenesulfonamide Formula: C16H14FN3O4S2 MolecularWeight: 395.428463

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSCCNS(=O)(=O)C2=CC(=C(C=C2)F)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC=C(C(=C1)CSCCNS(=O)(=O)C2=CC(=C(C=C2)F)[N+](=O)[O-])C#N

InChI

InChI=1S/C16H14FN3O4S2/c17-15-6-5-14(9-16(15)20(21)22)26(23,24)19-7-8-25-11-13-4-2-1-3-12(13)10-18/h1-6,9,19H,7-8,11H2